methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate

C29H28N2O2 — CID 142662047

IUPACmethyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28N2O2/c1-33-28(32)27(22-23-14-6-2-7-15-23)30-31-29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27,30-31H,22H2,1H3/t27-/m0/s1
InChIKeyMVLNJQWUOBUYPV-MHZLTWQESA-N
MW436.56 g/mol
LogP4.86
Rot. Bonds9

About methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate

methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate (PubChem CID 142662047) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate
PubChem CID142662047
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Namemethyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28N2O2/c1-33-28(32)27(22-23-14-6-2-7-15-23)30-31-29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27,30-31H,22H2,1H3/t27-/m0/s1
InChIKeyMVLNJQWUOBUYPV-MHZLTWQESA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate
CID 142662042
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
methyl (2S)-3-phenyl-2-[3-(trifluoromethyl)anilino]propanoate
CID 162417638
methyl (2S)-3-[4-(4-methylphenoxy)phenyl]-2-(tritylamino)propanoate
CID 101405687
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
methyl 2-formamido-3-phenylpropanoate
CID 595529
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 70091345
methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate
CID 174369868
methyl (2S)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-phenylpropanoate
CID 95401153
methyl (2R)-2-[[2-(4-hydroxyphenyl)-2,2-diphenylacetyl]amino]-3-phenylpropanoate
CID 44563450

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate (CID 142662047) is methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate is COC(=O)[C@H](Cc1ccccc1)NNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate?
The InChIKey is MVLNJQWUOBUYPV-MHZLTWQESA-N. The full InChI is InChI=1S/C29H28N2O2/c1-33-28(32)27(22-23-14-6-2-7-15-23)30-31-29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27,30-31H,22H2,1H3/t27-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate?
methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate has a molecular weight of 436.56 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate is sourced from PubChem (CID 142662047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).